SCHEMBL2117062

SCHEMBL2117062

COC(=O)c1cnsc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 3/20 0.47
GAA P10253 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM6 O15303 1/20 0.46
GRM5 P41594 1/20 0.46
AXL P30530 1/20 0.45
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14564451 0.86 ALDH1A1 (0.46) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL2116877 0.81 LDHA (0.45) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL13015208 0.79 PTGS2 (0.41) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL3321379 0.75 KDM4E (0.56) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
Dimethyl Phthalate SCHEMBL3686830 0.73 TSHR (0.63) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL11398295 0.72 TSHR (0.42) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL30205037 0.71 LMNA (0.49) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL6814697 0.71 ALDH1A1 (0.57) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL4266992 0.71 ALDH1A1 (0.70) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL31526193 0.70 TSHR (0.41) ALDH1A1HSD17B10KDM4EMAPTGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025098545-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V. V. I. (CZ) 2025-05-15 WO disclosed
EP-4553080-A1 NUCLEOSIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST CORONAVIRUSES Ustav Organicke Chemie a Biochemie AV CR, v.v.i. (CZ) 2025-05-14 EP disclosed
EP-2443113-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2012-04-25 EP disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
WO-2010146338-A1 AMIDO-ISOTHIAZOLE COMPOUNDS AND THEIR USE AS INHIBITORS OF 11BETA-HSD1 FOR THE TREATMENT OF METABOLIC SYNDROME AND RELATED DISORDERS THE UNIVERSITY OF EDINBURGH (GB) 2010-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 ALDH1A1 361/4885HPGD 221/4885HSD17B10 18/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.